USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 56 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 58 THR OG1 : rot 64:sc= 0.294 USER MOD Single : A 1 LYS N :NH3+ -152:sc= -0.292 (180deg=-1.64!) USER MOD Single : A 1 LYS NZ :NH3+ -135:sc= -2.2 (180deg=-6.41!) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.0958 (180deg=-0.627) USER MOD Single : A 8 ASN : amide:sc= -2.78! K(o=-2.8!,f=-1.8) USER MOD Single : B 21 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.398) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.559 USER MOD Single : B 27 HIS : no HE2:sc= -18.1! C(o=-18!,f=-22!) USER MOD Single : B 30 LYS NZ :NH3+ 161:sc= -0.0293 (180deg=-0.425) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0899) USER MOD Single : B 46 THR OG1 : rot 16:sc= 0.235! USER MOD Single : B 48 ASN : amide:sc= -3.31! C(o=-3.3!,f=-3.6!) USER MOD Single : B 49 ASN : amide:sc= -0.0736 K(o=-0.074,f=-1.9!) USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -142:sc= -0.0215 (180deg=-0.516) USER MOD Single : B 57 SER OG : rot 180:sc=-0.00745 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -2.24 K(o=-2.2,f=-6.2!) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot -30:sc= 0.76 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.806 6.887 -5.098 1.00 1.61 N ATOM 2 CA LYS A 1 -22.470 8.190 -4.814 1.00 0.97 C ATOM 3 C LYS A 1 -22.076 9.206 -5.887 1.00 0.57 C ATOM 4 O LYS A 1 -22.802 10.139 -6.169 1.00 1.10 O ATOM 5 CB LYS A 1 -22.027 8.695 -3.440 1.00 1.90 C ATOM 6 CG LYS A 1 -22.402 7.664 -2.373 1.00 1.99 C ATOM 7 CD LYS A 1 -21.638 7.959 -1.077 1.00 2.41 C ATOM 8 CE LYS A 1 -22.098 9.298 -0.492 1.00 3.14 C ATOM 9 NZ LYS A 1 -21.445 10.416 -1.231 1.00 3.88 N ATOM 0 H1 LYS A 1 -22.385 6.112 -4.717 1.00 1.61 H new ATOM 0 H2 LYS A 1 -21.701 6.768 -6.126 1.00 1.61 H new ATOM 0 H3 LYS A 1 -20.868 6.871 -4.650 1.00 1.61 H new ATOM 0 HA LYS A 1 -23.552 8.059 -4.821 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -20.951 8.866 -3.433 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -22.503 9.651 -3.221 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -23.476 7.692 -2.188 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -22.166 6.660 -2.725 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -21.807 7.160 -0.355 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -20.567 7.988 -1.275 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -23.182 9.385 -0.564 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -21.844 9.351 0.567 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -21.092 11.121 -0.553 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -20.650 10.045 -1.790 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -22.136 10.863 -1.867 1.00 3.88 H new ATOM 25 N VAL A 2 -20.933 9.029 -6.489 1.00 0.65 N ATOM 26 CA VAL A 2 -20.491 9.979 -7.548 1.00 0.45 C ATOM 27 C VAL A 2 -19.482 9.275 -8.460 1.00 0.47 C ATOM 28 O VAL A 2 -19.848 8.502 -9.322 1.00 0.88 O ATOM 29 CB VAL A 2 -19.857 11.223 -6.891 1.00 0.73 C ATOM 30 CG1 VAL A 2 -18.902 10.805 -5.741 1.00 1.03 C ATOM 31 CG2 VAL A 2 -19.102 12.073 -7.952 1.00 1.00 C ATOM 0 H VAL A 2 -20.285 8.266 -6.293 1.00 0.65 H new ATOM 0 HA VAL A 2 -21.344 10.300 -8.145 1.00 0.45 H new ATOM 0 HB VAL A 2 -20.654 11.834 -6.467 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -18.464 11.695 -5.290 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -19.462 10.253 -4.986 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -18.108 10.172 -6.139 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -18.661 12.946 -7.472 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -18.314 11.472 -8.406 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -19.801 12.397 -8.723 1.00 1.00 H new ATOM 41 N GLY A 3 -18.221 9.527 -8.273 1.00 0.41 N ATOM 42 CA GLY A 3 -17.197 8.866 -9.120 1.00 0.54 C ATOM 43 C GLY A 3 -17.225 7.366 -8.848 1.00 0.41 C ATOM 44 O GLY A 3 -16.979 6.560 -9.721 1.00 0.45 O ATOM 0 H GLY A 3 -17.854 10.165 -7.567 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -17.396 9.062 -10.174 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -16.209 9.270 -8.901 1.00 0.54 H new ATOM 48 N PHE A 4 -17.530 6.989 -7.637 1.00 0.38 N ATOM 49 CA PHE A 4 -17.578 5.540 -7.287 1.00 0.44 C ATOM 50 C PHE A 4 -18.313 4.759 -8.384 1.00 0.47 C ATOM 51 O PHE A 4 -17.814 3.781 -8.909 1.00 0.68 O ATOM 52 CB PHE A 4 -18.330 5.362 -5.963 1.00 0.57 C ATOM 53 CG PHE A 4 -17.471 5.828 -4.809 1.00 0.70 C ATOM 54 CD1 PHE A 4 -16.526 4.963 -4.245 1.00 1.35 C ATOM 55 CD2 PHE A 4 -17.628 7.123 -4.296 1.00 1.56 C ATOM 56 CE1 PHE A 4 -15.739 5.391 -3.169 1.00 1.52 C ATOM 57 CE2 PHE A 4 -16.839 7.551 -3.221 1.00 1.74 C ATOM 58 CZ PHE A 4 -15.895 6.686 -2.657 1.00 1.26 C ATOM 0 H PHE A 4 -17.749 7.625 -6.870 1.00 0.38 H new ATOM 0 HA PHE A 4 -16.559 5.164 -7.193 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -19.261 5.929 -5.986 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -18.598 4.314 -5.827 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -16.404 3.965 -4.640 1.00 1.35 H new ATOM 0 HD2 PHE A 4 -18.358 7.791 -4.730 1.00 1.56 H new ATOM 0 HE1 PHE A 4 -15.011 4.723 -2.733 1.00 1.52 H new ATOM 0 HE2 PHE A 4 -16.959 8.549 -2.827 1.00 1.74 H new ATOM 0 HZ PHE A 4 -15.287 7.016 -1.828 1.00 1.26 H new ATOM 68 N PHE A 5 -19.505 5.172 -8.716 1.00 0.45 N ATOM 69 CA PHE A 5 -20.282 4.441 -9.752 1.00 0.59 C ATOM 70 C PHE A 5 -19.633 4.604 -11.138 1.00 0.56 C ATOM 71 O PHE A 5 -19.446 3.636 -11.852 1.00 0.72 O ATOM 72 CB PHE A 5 -21.750 4.943 -9.727 1.00 0.72 C ATOM 73 CG PHE A 5 -22.035 5.919 -10.851 1.00 0.73 C ATOM 74 CD1 PHE A 5 -22.177 5.446 -12.159 1.00 1.48 C ATOM 75 CD2 PHE A 5 -22.173 7.286 -10.580 1.00 1.39 C ATOM 76 CE1 PHE A 5 -22.456 6.339 -13.199 1.00 1.65 C ATOM 77 CE2 PHE A 5 -22.450 8.180 -11.621 1.00 1.44 C ATOM 78 CZ PHE A 5 -22.592 7.707 -12.931 1.00 1.10 C ATOM 0 H PHE A 5 -19.973 5.984 -8.314 1.00 0.45 H new ATOM 0 HA PHE A 5 -20.280 3.373 -9.534 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -22.426 4.091 -9.806 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -21.953 5.423 -8.770 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -22.071 4.391 -12.366 1.00 1.48 H new ATOM 0 HD2 PHE A 5 -22.066 7.650 -9.569 1.00 1.39 H new ATOM 0 HE1 PHE A 5 -22.567 5.973 -14.209 1.00 1.65 H new ATOM 0 HE2 PHE A 5 -22.554 9.235 -11.414 1.00 1.44 H new ATOM 0 HZ PHE A 5 -22.806 8.396 -13.734 1.00 1.10 H new ATOM 88 N LYS A 6 -19.291 5.805 -11.535 1.00 0.47 N ATOM 89 CA LYS A 6 -18.664 5.985 -12.887 1.00 0.55 C ATOM 90 C LYS A 6 -17.139 5.887 -12.778 1.00 0.47 C ATOM 91 O LYS A 6 -16.416 6.697 -13.323 1.00 0.56 O ATOM 92 CB LYS A 6 -19.050 7.349 -13.472 1.00 0.71 C ATOM 93 CG LYS A 6 -18.670 8.465 -12.494 1.00 1.24 C ATOM 94 CD LYS A 6 -19.187 9.824 -13.004 1.00 1.40 C ATOM 95 CE LYS A 6 -18.187 10.435 -13.991 1.00 1.81 C ATOM 96 NZ LYS A 6 -16.944 10.820 -13.263 1.00 2.26 N ATOM 0 H LYS A 6 -19.415 6.660 -10.992 1.00 0.47 H new ATOM 0 HA LYS A 6 -19.028 5.197 -13.546 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -18.544 7.502 -14.425 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -20.121 7.378 -13.672 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -19.090 8.254 -11.511 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -17.587 8.501 -12.377 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -20.154 9.694 -13.489 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -19.340 10.501 -12.164 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -17.953 9.719 -14.779 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -18.624 11.309 -14.474 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -16.468 11.592 -13.772 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -17.188 11.137 -12.303 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -16.307 10.000 -13.205 1.00 2.26 H new ATOM 110 N ARG A 7 -16.642 4.895 -12.084 1.00 0.52 N ATOM 111 CA ARG A 7 -15.157 4.741 -11.947 1.00 0.56 C ATOM 112 C ARG A 7 -14.784 3.263 -11.856 1.00 0.59 C ATOM 113 O ARG A 7 -13.652 2.895 -12.100 1.00 0.71 O ATOM 114 CB ARG A 7 -14.682 5.467 -10.685 1.00 0.76 C ATOM 115 CG ARG A 7 -13.171 5.281 -10.516 1.00 1.21 C ATOM 116 CD ARG A 7 -12.674 6.147 -9.356 1.00 1.68 C ATOM 117 NE ARG A 7 -11.190 6.264 -9.425 1.00 2.21 N ATOM 118 CZ ARG A 7 -10.573 7.181 -8.730 1.00 2.78 C ATOM 119 NH1 ARG A 7 -11.254 7.994 -7.970 1.00 3.15 N ATOM 120 NH2 ARG A 7 -9.274 7.285 -8.796 1.00 3.45 N ATOM 0 H ARG A 7 -17.197 4.185 -11.606 1.00 0.52 H new ATOM 0 HA ARG A 7 -14.675 5.174 -12.823 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -14.921 6.528 -10.753 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -15.205 5.078 -9.812 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -12.943 4.233 -10.324 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -12.655 5.557 -11.436 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -13.130 7.136 -9.405 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -12.971 5.705 -8.405 1.00 1.68 H new ATOM 0 HE ARG A 7 -10.656 5.627 -10.016 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -12.270 7.914 -7.918 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -10.771 8.710 -7.427 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -8.741 6.650 -9.390 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -8.791 8.001 -8.253 1.00 3.45 H new ATOM 134 N ASN A 8 -15.715 2.412 -11.499 1.00 0.59 N ATOM 135 CA ASN A 8 -15.400 0.952 -11.382 1.00 0.68 C ATOM 136 C ASN A 8 -16.414 0.129 -12.192 1.00 0.60 C ATOM 137 O ASN A 8 -16.161 -1.004 -12.536 1.00 0.62 O ATOM 138 CB ASN A 8 -15.438 0.544 -9.899 1.00 0.91 C ATOM 139 CG ASN A 8 -15.106 1.752 -9.021 1.00 1.63 C ATOM 140 OD1 ASN A 8 -13.985 2.221 -9.007 1.00 2.44 O ATOM 141 ND2 ASN A 8 -16.042 2.276 -8.284 1.00 1.47 N ATOM 0 H ASN A 8 -16.679 2.664 -11.283 1.00 0.59 H new ATOM 0 HA ASN A 8 -14.404 0.759 -11.781 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -16.425 0.157 -9.644 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -14.724 -0.259 -9.715 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -15.835 3.082 -7.693 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -16.982 1.881 -8.297 1.00 1.47 H new ATOM 148 N ARG A 9 -17.559 0.682 -12.502 1.00 0.66 N ATOM 149 CA ARG A 9 -18.568 -0.072 -13.288 1.00 0.76 C ATOM 150 C ARG A 9 -18.429 0.160 -14.813 1.00 0.57 C ATOM 151 O ARG A 9 -18.784 -0.722 -15.570 1.00 0.61 O ATOM 152 CB ARG A 9 -19.964 0.360 -12.841 1.00 1.15 C ATOM 153 CG ARG A 9 -20.307 -0.261 -11.469 1.00 1.16 C ATOM 154 CD ARG A 9 -19.736 0.601 -10.324 1.00 1.56 C ATOM 155 NE ARG A 9 -19.000 -0.261 -9.348 1.00 1.99 N ATOM 156 CZ ARG A 9 -19.517 -1.369 -8.883 1.00 2.90 C ATOM 157 NH1 ARG A 9 -20.726 -1.728 -9.218 1.00 3.37 N ATOM 158 NH2 ARG A 9 -18.824 -2.114 -8.065 1.00 3.67 N ATOM 0 H ARG A 9 -17.835 1.629 -12.241 1.00 0.66 H new ATOM 0 HA ARG A 9 -18.405 -1.134 -13.104 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -20.012 1.447 -12.777 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -20.702 0.051 -13.582 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -21.388 -0.346 -11.363 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -19.900 -1.270 -11.409 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -19.066 1.359 -10.729 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -20.544 1.128 -9.818 1.00 1.56 H new ATOM 0 HE ARG A 9 -18.071 0.022 -9.037 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -21.276 -1.143 -9.847 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -21.121 -2.594 -8.851 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -17.883 -1.831 -7.791 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -19.223 -2.979 -7.700 1.00 3.67 H new ATOM 172 N PRO A 10 -17.950 1.315 -15.260 1.00 0.48 N ATOM 173 CA PRO A 10 -17.839 1.552 -16.710 1.00 0.50 C ATOM 174 C PRO A 10 -17.032 0.442 -17.417 1.00 0.48 C ATOM 175 O PRO A 10 -17.453 -0.020 -18.459 1.00 0.62 O ATOM 176 CB PRO A 10 -17.195 2.949 -16.857 1.00 0.58 C ATOM 177 CG PRO A 10 -17.092 3.557 -15.428 1.00 0.57 C ATOM 178 CD PRO A 10 -17.498 2.453 -14.418 1.00 0.53 C ATOM 0 HA PRO A 10 -18.814 1.525 -17.196 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -16.209 2.872 -17.315 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -17.799 3.585 -17.504 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -16.077 3.902 -15.231 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -17.747 4.423 -15.332 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -16.658 2.167 -13.785 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -18.293 2.796 -13.756 1.00 0.53 H new ATOM 186 N PRO A 11 -15.905 0.036 -16.870 1.00 0.44 N ATOM 187 CA PRO A 11 -15.097 -1.015 -17.511 1.00 0.58 C ATOM 188 C PRO A 11 -15.774 -2.397 -17.382 1.00 0.60 C ATOM 189 O PRO A 11 -15.281 -3.370 -17.915 1.00 0.91 O ATOM 190 CB PRO A 11 -13.738 -0.975 -16.769 1.00 0.66 C ATOM 191 CG PRO A 11 -13.889 0.018 -15.579 1.00 0.57 C ATOM 192 CD PRO A 11 -15.332 0.569 -15.614 1.00 0.41 C ATOM 0 HA PRO A 11 -14.979 -0.848 -18.582 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -13.467 -1.968 -16.409 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -12.943 -0.652 -17.441 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -13.694 -0.486 -14.632 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -13.166 0.830 -15.663 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -15.903 0.239 -14.746 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -15.340 1.659 -15.606 1.00 0.41 H new ATOM 200 N LEU A 12 -16.892 -2.508 -16.684 1.00 0.55 N ATOM 201 CA LEU A 12 -17.554 -3.858 -16.553 1.00 0.62 C ATOM 202 C LEU A 12 -19.090 -3.735 -16.582 1.00 0.57 C ATOM 203 O LEU A 12 -19.718 -3.968 -17.596 1.00 0.87 O ATOM 204 CB LEU A 12 -17.120 -4.556 -15.232 1.00 0.80 C ATOM 205 CG LEU A 12 -16.662 -3.516 -14.173 1.00 0.87 C ATOM 206 CD1 LEU A 12 -17.078 -3.977 -12.767 1.00 1.13 C ATOM 207 CD2 LEU A 12 -15.128 -3.352 -14.220 1.00 1.05 C ATOM 0 H LEU A 12 -17.366 -1.739 -16.209 1.00 0.55 H new ATOM 0 HA LEU A 12 -17.235 -4.460 -17.404 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -17.951 -5.141 -14.836 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -16.308 -5.254 -15.436 1.00 0.80 H new ATOM 0 HG LEU A 12 -17.136 -2.560 -14.397 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -16.752 -3.241 -12.032 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -18.162 -4.078 -12.723 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -16.615 -4.939 -12.548 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -14.817 -2.621 -13.474 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -14.653 -4.310 -14.009 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -14.829 -3.009 -15.210 1.00 1.05 H new ATOM 219 N GLU A 13 -19.696 -3.424 -15.469 1.00 0.65 N ATOM 220 CA GLU A 13 -21.188 -3.344 -15.416 1.00 0.75 C ATOM 221 C GLU A 13 -21.717 -2.247 -16.340 1.00 0.74 C ATOM 222 O GLU A 13 -22.611 -2.476 -17.128 1.00 0.95 O ATOM 223 CB GLU A 13 -21.625 -3.058 -13.977 1.00 1.03 C ATOM 224 CG GLU A 13 -21.453 -4.319 -13.129 1.00 1.27 C ATOM 225 CD GLU A 13 -22.557 -5.320 -13.471 1.00 1.82 C ATOM 226 OE1 GLU A 13 -23.715 -4.943 -13.399 1.00 2.42 O ATOM 227 OE2 GLU A 13 -22.226 -6.447 -13.801 1.00 2.40 O ATOM 0 H GLU A 13 -19.222 -3.221 -14.589 1.00 0.65 H new ATOM 0 HA GLU A 13 -21.598 -4.296 -15.752 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -21.032 -2.244 -13.561 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -22.666 -2.735 -13.960 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -20.475 -4.763 -13.314 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -21.493 -4.066 -12.070 1.00 1.27 H new ATOM 234 N GLU A 14 -21.194 -1.059 -16.236 1.00 0.68 N ATOM 235 CA GLU A 14 -21.677 0.064 -17.087 1.00 0.89 C ATOM 236 C GLU A 14 -23.042 0.512 -16.576 1.00 0.94 C ATOM 237 O GLU A 14 -23.979 0.681 -17.330 1.00 1.55 O ATOM 238 CB GLU A 14 -21.770 -0.352 -18.570 1.00 1.17 C ATOM 239 CG GLU A 14 -20.605 -1.296 -18.943 1.00 1.14 C ATOM 240 CD GLU A 14 -20.239 -1.119 -20.422 1.00 1.64 C ATOM 241 OE1 GLU A 14 -21.147 -0.970 -21.223 1.00 2.31 O ATOM 242 OE2 GLU A 14 -19.057 -1.137 -20.726 1.00 2.06 O ATOM 0 H GLU A 14 -20.443 -0.815 -15.590 1.00 0.68 H new ATOM 0 HA GLU A 14 -20.965 0.887 -17.025 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -22.722 -0.850 -18.755 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -21.745 0.534 -19.204 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -19.738 -1.082 -18.317 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -20.889 -2.331 -18.751 1.00 1.14 H new ATOM 249 N ASP A 15 -23.154 0.709 -15.291 1.00 1.07 N ATOM 250 CA ASP A 15 -24.448 1.151 -14.712 1.00 1.20 C ATOM 251 C ASP A 15 -24.195 1.806 -13.351 1.00 1.34 C ATOM 252 O ASP A 15 -23.194 2.464 -13.148 1.00 2.23 O ATOM 253 CB ASP A 15 -25.372 -0.057 -14.544 1.00 1.49 C ATOM 254 CG ASP A 15 -26.808 0.422 -14.319 1.00 1.87 C ATOM 255 OD1 ASP A 15 -27.343 1.065 -15.207 1.00 2.03 O ATOM 256 OD2 ASP A 15 -27.347 0.138 -13.261 1.00 2.50 O ATOM 0 H ASP A 15 -22.400 0.581 -14.616 1.00 1.07 H new ATOM 0 HA ASP A 15 -24.921 1.873 -15.378 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -25.324 -0.690 -15.430 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -25.044 -0.664 -13.700 1.00 1.49 H new ATOM 261 N ASP A 16 -25.089 1.630 -12.414 1.00 1.38 N ATOM 262 CA ASP A 16 -24.895 2.233 -11.076 1.00 1.96 C ATOM 263 C ASP A 16 -23.992 1.316 -10.252 1.00 2.73 C ATOM 264 O ASP A 16 -22.797 1.269 -10.449 1.00 3.35 O ATOM 265 CB ASP A 16 -26.266 2.371 -10.403 1.00 1.75 C ATOM 266 CG ASP A 16 -26.950 3.660 -10.872 1.00 2.35 C ATOM 267 OD1 ASP A 16 -26.714 4.689 -10.260 1.00 2.63 O ATOM 268 OD2 ASP A 16 -27.696 3.595 -11.835 1.00 3.01 O ATOM 0 H ASP A 16 -25.948 1.091 -12.525 1.00 1.38 H new ATOM 0 HA ASP A 16 -24.430 3.216 -11.156 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -26.888 1.510 -10.646 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -26.149 2.385 -9.319 1.00 1.75 H new ATOM 273 N GLU A 17 -24.561 0.583 -9.340 1.00 2.99 N ATOM 274 CA GLU A 17 -23.760 -0.351 -8.496 1.00 3.97 C ATOM 275 C GLU A 17 -24.624 -1.572 -8.179 1.00 4.44 C ATOM 276 O GLU A 17 -24.891 -2.398 -9.028 1.00 4.39 O ATOM 277 CB GLU A 17 -23.370 0.345 -7.186 1.00 4.23 C ATOM 278 CG GLU A 17 -22.205 1.302 -7.435 1.00 4.26 C ATOM 279 CD GLU A 17 -21.934 2.118 -6.170 1.00 5.23 C ATOM 280 OE1 GLU A 17 -21.904 1.527 -5.102 1.00 5.57 O ATOM 281 OE2 GLU A 17 -21.763 3.320 -6.289 1.00 5.91 O ATOM 0 H GLU A 17 -25.561 0.589 -9.139 1.00 2.99 H new ATOM 0 HA GLU A 17 -22.855 -0.651 -9.025 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -24.223 0.893 -6.787 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -23.089 -0.397 -6.439 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -21.314 0.741 -7.716 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -22.439 1.967 -8.266 1.00 4.26 H new ATOM 288 N GLU A 18 -25.076 -1.668 -6.957 1.00 5.24 N ATOM 289 CA GLU A 18 -25.950 -2.804 -6.537 1.00 5.97 C ATOM 290 C GLU A 18 -27.307 -2.222 -6.142 1.00 5.91 C ATOM 291 O GLU A 18 -28.132 -2.877 -5.536 1.00 6.62 O ATOM 292 CB GLU A 18 -25.310 -3.510 -5.333 1.00 6.80 C ATOM 293 CG GLU A 18 -25.877 -4.926 -5.200 1.00 7.66 C ATOM 294 CD GLU A 18 -25.295 -5.593 -3.952 1.00 8.51 C ATOM 295 OE1 GLU A 18 -24.252 -6.215 -4.068 1.00 8.87 O ATOM 296 OE2 GLU A 18 -25.903 -5.470 -2.901 1.00 8.98 O ATOM 0 H GLU A 18 -24.873 -0.995 -6.218 1.00 5.24 H new ATOM 0 HA GLU A 18 -26.071 -3.527 -7.344 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -24.228 -3.552 -5.457 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -25.504 -2.944 -4.422 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -26.964 -4.889 -5.132 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -25.633 -5.512 -6.086 1.00 7.66 H new ATOM 303 N GLY A 19 -27.528 -0.980 -6.482 1.00 5.28 N ATOM 304 CA GLY A 19 -28.815 -0.318 -6.136 1.00 5.61 C ATOM 305 C GLY A 19 -28.663 1.199 -6.295 1.00 5.58 C ATOM 306 O GLY A 19 -29.635 1.921 -6.398 1.00 6.33 O ATOM 0 H GLY A 19 -26.865 -0.393 -6.989 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -29.612 -0.685 -6.783 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -29.099 -0.561 -5.112 1.00 5.61 H new ATOM 310 N GLU A 20 -27.450 1.690 -6.318 1.00 4.99 N ATOM 311 CA GLU A 20 -27.242 3.159 -6.472 1.00 5.43 C ATOM 312 C GLU A 20 -27.854 3.625 -7.794 1.00 5.84 C ATOM 313 O GLU A 20 -27.799 4.814 -8.064 1.00 6.24 O ATOM 314 CB GLU A 20 -25.740 3.472 -6.463 1.00 5.87 C ATOM 315 CG GLU A 20 -25.144 3.070 -5.112 1.00 6.13 C ATOM 316 CD GLU A 20 -25.712 3.969 -4.014 1.00 6.76 C ATOM 317 OE1 GLU A 20 -25.150 5.029 -3.793 1.00 7.17 O ATOM 318 OE2 GLU A 20 -26.701 3.583 -3.411 1.00 7.07 O ATOM 319 OXT GLU A 20 -28.367 2.784 -8.514 1.00 6.10 O ATOM 0 H GLU A 20 -26.597 1.137 -6.237 1.00 4.99 H new ATOM 0 HA GLU A 20 -27.723 3.681 -5.645 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -25.240 2.933 -7.268 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -25.578 4.535 -6.642 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -25.375 2.027 -4.897 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -24.058 3.157 -5.142 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -16.747 20.340 -2.085 1.00 0.00 N ATOM 328 CA LYS B 21 -16.919 18.958 -2.616 1.00 0.00 C ATOM 329 C LYS B 21 -15.665 18.141 -2.305 1.00 0.00 C ATOM 330 O LYS B 21 -14.836 17.912 -3.160 1.00 0.00 O ATOM 331 CB LYS B 21 -17.131 19.016 -4.131 1.00 0.00 C ATOM 332 CG LYS B 21 -18.560 19.476 -4.438 1.00 0.00 C ATOM 333 CD LYS B 21 -18.780 20.891 -3.885 1.00 0.00 C ATOM 334 CE LYS B 21 -19.977 21.540 -4.586 1.00 0.00 C ATOM 335 NZ LYS B 21 -21.145 20.616 -4.533 1.00 0.00 N ATOM 0 HA LYS B 21 -17.785 18.490 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -16.414 19.702 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -16.953 18.034 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -18.732 19.465 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -19.277 18.786 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -18.955 20.848 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -17.886 21.495 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -20.226 22.485 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -19.726 21.767 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -22.016 21.145 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.023 19.862 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -21.212 20.195 -3.584 1.00 0.00 H new ATOM 351 N LEU B 22 -15.525 17.695 -1.087 1.00 0.00 N ATOM 352 CA LEU B 22 -14.331 16.878 -0.712 1.00 0.00 C ATOM 353 C LEU B 22 -14.637 15.415 -1.013 1.00 0.00 C ATOM 354 O LEU B 22 -13.768 14.615 -1.296 1.00 0.00 O ATOM 355 CB LEU B 22 -14.040 17.065 0.784 1.00 0.00 C ATOM 356 CG LEU B 22 -13.253 18.363 0.998 1.00 0.00 C ATOM 357 CD1 LEU B 22 -14.091 19.553 0.526 1.00 0.00 C ATOM 358 CD2 LEU B 22 -12.931 18.525 2.486 1.00 0.00 C ATOM 0 H LEU B 22 -16.188 17.861 -0.330 1.00 0.00 H new ATOM 0 HA LEU B 22 -13.456 17.193 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -14.974 17.098 1.345 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -13.471 16.216 1.163 1.00 0.00 H new ATOM 0 HG LEU B 22 -12.325 18.323 0.427 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -13.531 20.476 0.678 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -14.321 19.439 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -15.019 19.593 1.096 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -12.371 19.448 2.639 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -13.859 18.564 3.057 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -12.333 17.678 2.823 1.00 0.00 H new ATOM 370 N LEU B 23 -15.887 15.087 -0.951 1.00 0.00 N ATOM 371 CA LEU B 23 -16.354 13.701 -1.222 1.00 0.00 C ATOM 372 C LEU B 23 -15.694 13.169 -2.507 1.00 0.00 C ATOM 373 O LEU B 23 -15.648 11.983 -2.754 1.00 0.00 O ATOM 374 CB LEU B 23 -17.898 13.783 -1.330 1.00 0.00 C ATOM 375 CG LEU B 23 -18.491 12.816 -2.364 1.00 0.00 C ATOM 376 CD1 LEU B 23 -18.350 11.370 -1.866 1.00 0.00 C ATOM 377 CD2 LEU B 23 -19.972 13.163 -2.535 1.00 0.00 C ATOM 0 H LEU B 23 -16.633 15.741 -0.716 1.00 0.00 H new ATOM 0 HA LEU B 23 -16.077 13.002 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.334 13.571 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -18.182 14.802 -1.592 1.00 0.00 H new ATOM 0 HG LEU B 23 -17.966 12.907 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -18.773 10.688 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -17.295 11.137 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -18.882 11.257 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -20.421 12.491 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -20.484 13.054 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -20.067 14.192 -2.882 1.00 0.00 H new ATOM 389 N ILE B 24 -15.181 14.045 -3.318 1.00 0.00 N ATOM 390 CA ILE B 24 -14.514 13.628 -4.588 1.00 0.00 C ATOM 391 C ILE B 24 -13.012 13.535 -4.340 1.00 0.00 C ATOM 392 O ILE B 24 -12.362 12.571 -4.695 1.00 0.00 O ATOM 393 CB ILE B 24 -14.834 14.643 -5.705 1.00 0.00 C ATOM 394 CG1 ILE B 24 -13.954 15.895 -5.571 1.00 0.00 C ATOM 395 CG2 ILE B 24 -16.309 15.044 -5.607 1.00 0.00 C ATOM 396 CD1 ILE B 24 -14.446 16.989 -6.524 1.00 0.00 C ATOM 0 H ILE B 24 -15.194 15.052 -3.156 1.00 0.00 H new ATOM 0 HA ILE B 24 -14.882 12.654 -4.909 1.00 0.00 H new ATOM 0 HB ILE B 24 -14.632 14.181 -6.671 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -13.979 16.258 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -12.917 15.646 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -16.544 15.762 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -16.935 14.159 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -16.499 15.497 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -13.815 17.872 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -14.397 16.626 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -15.476 17.248 -6.279 1.00 0.00 H new ATOM 408 N THR B 25 -12.465 14.536 -3.713 1.00 0.00 N ATOM 409 CA THR B 25 -11.011 14.530 -3.410 1.00 0.00 C ATOM 410 C THR B 25 -10.733 13.381 -2.450 1.00 0.00 C ATOM 411 O THR B 25 -9.833 12.591 -2.654 1.00 0.00 O ATOM 412 CB THR B 25 -10.611 15.853 -2.753 1.00 0.00 C ATOM 413 OG1 THR B 25 -11.419 16.073 -1.606 1.00 0.00 O ATOM 414 CG2 THR B 25 -10.806 17.000 -3.745 1.00 0.00 C ATOM 0 H THR B 25 -12.968 15.365 -3.395 1.00 0.00 H new ATOM 0 HA THR B 25 -10.437 14.408 -4.328 1.00 0.00 H new ATOM 0 HB THR B 25 -9.563 15.809 -2.457 1.00 0.00 H new ATOM 0 HG1 THR B 25 -11.163 16.919 -1.183 1.00 0.00 H new ATOM 0 HG21 THR B 25 -10.520 17.941 -3.274 1.00 0.00 H new ATOM 0 HG22 THR B 25 -10.184 16.831 -4.624 1.00 0.00 H new ATOM 0 HG23 THR B 25 -11.853 17.048 -4.045 1.00 0.00 H new ATOM 422 N ILE B 26 -11.514 13.268 -1.407 1.00 0.00 N ATOM 423 CA ILE B 26 -11.296 12.151 -0.456 1.00 0.00 C ATOM 424 C ILE B 26 -11.603 10.856 -1.184 1.00 0.00 C ATOM 425 O ILE B 26 -10.998 9.833 -0.932 1.00 0.00 O ATOM 426 CB ILE B 26 -12.196 12.300 0.784 1.00 0.00 C ATOM 427 CG1 ILE B 26 -13.689 12.092 0.406 1.00 0.00 C ATOM 428 CG2 ILE B 26 -11.997 13.703 1.375 1.00 0.00 C ATOM 429 CD1 ILE B 26 -14.119 10.624 0.611 1.00 0.00 C ATOM 0 H ILE B 26 -12.284 13.896 -1.179 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.263 12.155 -0.107 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.923 11.543 1.519 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -14.315 12.745 1.014 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -13.846 12.378 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.630 13.820 2.255 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -10.953 13.833 1.659 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.267 14.453 0.631 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -15.168 10.511 0.338 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -13.509 9.975 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.984 10.348 1.657 1.00 0.00 H new ATOM 441 N HIS B 27 -12.524 10.887 -2.113 1.00 0.00 N ATOM 442 CA HIS B 27 -12.817 9.630 -2.867 1.00 0.00 C ATOM 443 C HIS B 27 -11.712 9.428 -3.903 1.00 0.00 C ATOM 444 O HIS B 27 -11.502 8.345 -4.411 1.00 0.00 O ATOM 445 CB HIS B 27 -14.174 9.724 -3.566 1.00 0.00 C ATOM 446 CG HIS B 27 -14.366 8.524 -4.454 1.00 0.00 C ATOM 447 ND1 HIS B 27 -13.677 7.338 -4.259 1.00 0.00 N ATOM 448 CD2 HIS B 27 -15.157 8.320 -5.556 1.00 0.00 C ATOM 449 CE1 HIS B 27 -14.061 6.482 -5.223 1.00 0.00 C ATOM 450 NE2 HIS B 27 -14.962 7.030 -6.041 1.00 0.00 N ATOM 0 H HIS B 27 -13.073 11.705 -2.378 1.00 0.00 H new ATOM 0 HA HIS B 27 -12.852 8.787 -2.177 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -14.973 9.774 -2.826 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -14.228 10.639 -4.156 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -13.001 7.148 -3.519 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -15.829 9.050 -5.983 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -13.686 5.474 -5.323 1.00 0.00 H new ATOM 458 N ASP B 28 -10.994 10.475 -4.206 1.00 0.00 N ATOM 459 CA ASP B 28 -9.883 10.368 -5.198 1.00 0.00 C ATOM 460 C ASP B 28 -8.599 10.014 -4.462 1.00 0.00 C ATOM 461 O ASP B 28 -7.725 9.355 -4.988 1.00 0.00 O ATOM 462 CB ASP B 28 -9.700 11.710 -5.900 1.00 0.00 C ATOM 463 CG ASP B 28 -8.734 11.547 -7.075 1.00 0.00 C ATOM 464 OD1 ASP B 28 -8.995 10.706 -7.919 1.00 0.00 O ATOM 465 OD2 ASP B 28 -7.750 12.268 -7.110 1.00 0.00 O ATOM 0 H ASP B 28 -11.129 11.404 -3.808 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.118 9.599 -5.934 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -10.662 12.080 -6.255 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.314 12.449 -5.198 1.00 0.00 H new ATOM 470 N ARG B 29 -8.488 10.439 -3.240 1.00 0.00 N ATOM 471 CA ARG B 29 -7.276 10.126 -2.447 1.00 0.00 C ATOM 472 C ARG B 29 -7.144 8.606 -2.368 1.00 0.00 C ATOM 473 O ARG B 29 -6.088 8.069 -2.098 1.00 0.00 O ATOM 474 CB ARG B 29 -7.437 10.726 -1.039 1.00 0.00 C ATOM 475 CG ARG B 29 -6.922 12.184 -1.008 1.00 0.00 C ATOM 476 CD ARG B 29 -5.446 12.223 -0.584 1.00 0.00 C ATOM 477 NE ARG B 29 -4.703 11.101 -1.225 1.00 0.00 N ATOM 478 CZ ARG B 29 -3.399 11.122 -1.259 1.00 0.00 C ATOM 479 NH1 ARG B 29 -2.747 12.122 -0.731 1.00 0.00 N ATOM 480 NH2 ARG B 29 -2.744 10.142 -1.819 1.00 0.00 N ATOM 0 H ARG B 29 -9.191 10.994 -2.753 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.382 10.547 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -8.486 10.698 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -6.886 10.124 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -7.036 12.637 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -7.522 12.773 -0.314 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -5.001 13.176 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -5.368 12.149 0.501 1.00 0.00 H new ATOM 0 HE ARG B 29 -5.213 10.319 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -3.257 12.888 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -1.727 12.137 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -3.252 9.359 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -1.724 10.159 -1.845 1.00 0.00 H new ATOM 494 N LYS B 30 -8.219 7.916 -2.613 1.00 0.00 N ATOM 495 CA LYS B 30 -8.186 6.435 -2.566 1.00 0.00 C ATOM 496 C LYS B 30 -7.386 5.917 -3.761 1.00 0.00 C ATOM 497 O LYS B 30 -6.897 4.804 -3.758 1.00 0.00 O ATOM 498 CB LYS B 30 -9.615 5.888 -2.632 1.00 0.00 C ATOM 499 CG LYS B 30 -9.601 4.389 -2.326 1.00 0.00 C ATOM 500 CD LYS B 30 -11.034 3.852 -2.331 1.00 0.00 C ATOM 501 CE LYS B 30 -11.021 2.360 -1.995 1.00 0.00 C ATOM 502 NZ LYS B 30 -10.561 2.172 -0.590 1.00 0.00 N ATOM 0 H LYS B 30 -9.126 8.320 -2.846 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.718 6.107 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.249 6.410 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.038 6.064 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.001 3.861 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.138 4.210 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -11.639 4.394 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -11.490 4.012 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.018 1.939 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -10.361 1.828 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -10.848 1.231 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -9.525 2.252 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.988 2.901 0.016 1.00 0.00 H new ATOM 516 N GLU B 31 -7.249 6.715 -4.787 1.00 0.00 N ATOM 517 CA GLU B 31 -6.482 6.264 -5.979 1.00 0.00 C ATOM 518 C GLU B 31 -5.140 5.686 -5.531 1.00 0.00 C ATOM 519 O GLU B 31 -4.591 4.799 -6.154 1.00 0.00 O ATOM 520 CB GLU B 31 -6.252 7.450 -6.923 1.00 0.00 C ATOM 521 CG GLU B 31 -5.268 8.438 -6.287 1.00 0.00 C ATOM 522 CD GLU B 31 -5.345 9.783 -7.012 1.00 0.00 C ATOM 523 OE1 GLU B 31 -6.447 10.199 -7.333 1.00 0.00 O ATOM 524 OE2 GLU B 31 -4.302 10.375 -7.232 1.00 0.00 O ATOM 0 H GLU B 31 -7.635 7.657 -4.849 1.00 0.00 H new ATOM 0 HA GLU B 31 -7.046 5.495 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -5.861 7.096 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -7.198 7.949 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -5.502 8.570 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -4.254 8.042 -6.342 1.00 0.00 H new ATOM 531 N PHE B 32 -4.614 6.182 -4.450 1.00 0.00 N ATOM 532 CA PHE B 32 -3.309 5.665 -3.946 1.00 0.00 C ATOM 533 C PHE B 32 -3.554 4.407 -3.120 1.00 0.00 C ATOM 534 O PHE B 32 -2.778 3.477 -3.138 1.00 0.00 O ATOM 535 CB PHE B 32 -2.635 6.729 -3.061 1.00 0.00 C ATOM 536 CG PHE B 32 -1.132 6.548 -3.065 1.00 0.00 C ATOM 537 CD1 PHE B 32 -0.564 5.444 -2.424 1.00 0.00 C ATOM 538 CD2 PHE B 32 -0.310 7.492 -3.700 1.00 0.00 C ATOM 539 CE1 PHE B 32 0.831 5.283 -2.418 1.00 0.00 C ATOM 540 CE2 PHE B 32 1.079 7.329 -3.694 1.00 0.00 C ATOM 541 CZ PHE B 32 1.649 6.225 -3.054 1.00 0.00 C ATOM 0 H PHE B 32 -5.031 6.926 -3.890 1.00 0.00 H new ATOM 0 HA PHE B 32 -2.660 5.434 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -2.888 7.725 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -3.013 6.655 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -1.196 4.717 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -0.751 8.345 -4.194 1.00 0.00 H new ATOM 0 HE1 PHE B 32 1.274 4.432 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE B 32 1.711 8.056 -4.183 1.00 0.00 H new ATOM 0 HZ PHE B 32 2.722 6.098 -3.050 1.00 0.00 H new ATOM 551 N ALA B 33 -4.628 4.397 -2.387 1.00 0.00 N ATOM 552 CA ALA B 33 -4.955 3.231 -1.514 1.00 0.00 C ATOM 553 C ALA B 33 -4.664 1.913 -2.232 1.00 0.00 C ATOM 554 O ALA B 33 -4.274 0.942 -1.611 1.00 0.00 O ATOM 555 CB ALA B 33 -6.436 3.281 -1.140 1.00 0.00 C ATOM 0 H ALA B 33 -5.306 5.158 -2.353 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.336 3.284 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.679 2.431 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.645 4.207 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -7.041 3.240 -2.045 1.00 0.00 H new ATOM 561 N LYS B 34 -4.860 1.848 -3.522 1.00 0.00 N ATOM 562 CA LYS B 34 -4.587 0.569 -4.248 1.00 0.00 C ATOM 563 C LYS B 34 -3.138 0.495 -4.731 1.00 0.00 C ATOM 564 O LYS B 34 -2.565 -0.572 -4.790 1.00 0.00 O ATOM 565 CB LYS B 34 -5.544 0.431 -5.433 1.00 0.00 C ATOM 566 CG LYS B 34 -5.357 1.618 -6.381 1.00 0.00 C ATOM 567 CD LYS B 34 -6.359 1.513 -7.533 1.00 0.00 C ATOM 568 CE LYS B 34 -6.131 2.663 -8.518 1.00 0.00 C ATOM 569 NZ LYS B 34 -6.823 2.361 -9.802 1.00 0.00 N ATOM 0 H LYS B 34 -5.195 2.617 -4.102 1.00 0.00 H new ATOM 0 HA LYS B 34 -4.747 -0.255 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -5.354 -0.503 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -6.574 0.393 -5.080 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -5.503 2.554 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -4.339 1.630 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -6.244 0.556 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -7.378 1.548 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -6.509 3.595 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -5.064 2.801 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -6.669 3.142 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -6.442 1.480 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -7.842 2.250 -9.629 1.00 0.00 H new ATOM 583 N PHE B 35 -2.522 1.603 -5.068 1.00 0.00 N ATOM 584 CA PHE B 35 -1.099 1.550 -5.522 1.00 0.00 C ATOM 585 C PHE B 35 -0.320 0.706 -4.505 1.00 0.00 C ATOM 586 O PHE B 35 0.764 0.216 -4.751 1.00 0.00 O ATOM 587 CB PHE B 35 -0.549 2.990 -5.565 1.00 0.00 C ATOM 588 CG PHE B 35 -0.294 3.419 -6.990 1.00 0.00 C ATOM 589 CD1 PHE B 35 -1.332 3.929 -7.778 1.00 0.00 C ATOM 590 CD2 PHE B 35 0.984 3.299 -7.512 1.00 0.00 C ATOM 591 CE1 PHE B 35 -1.078 4.320 -9.098 1.00 0.00 C ATOM 592 CE2 PHE B 35 1.248 3.687 -8.830 1.00 0.00 C ATOM 593 CZ PHE B 35 0.215 4.198 -9.625 1.00 0.00 C ATOM 0 H PHE B 35 -2.940 2.533 -5.048 1.00 0.00 H new ATOM 0 HA PHE B 35 -1.006 1.107 -6.514 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -1.260 3.671 -5.096 1.00 0.00 H new ATOM 0 HB3 PHE B 35 0.376 3.049 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE B 35 -2.327 4.021 -7.369 1.00 0.00 H new ATOM 0 HD2 PHE B 35 1.780 2.904 -6.898 1.00 0.00 H new ATOM 0 HE1 PHE B 35 -1.876 4.715 -9.709 1.00 0.00 H new ATOM 0 HE2 PHE B 35 2.246 3.593 -9.233 1.00 0.00 H new ATOM 0 HZ PHE B 35 0.414 4.498 -10.643 1.00 0.00 H new ATOM 603 N GLU B 36 -0.913 0.554 -3.367 1.00 0.00 N ATOM 604 CA GLU B 36 -0.330 -0.231 -2.260 1.00 0.00 C ATOM 605 C GLU B 36 -0.516 -1.720 -2.529 1.00 0.00 C ATOM 606 O GLU B 36 0.289 -2.541 -2.137 1.00 0.00 O ATOM 607 CB GLU B 36 -1.095 0.125 -0.980 1.00 0.00 C ATOM 608 CG GLU B 36 -1.454 1.592 -0.974 1.00 0.00 C ATOM 609 CD GLU B 36 -0.199 2.432 -1.186 1.00 0.00 C ATOM 610 OE1 GLU B 36 0.391 2.315 -2.248 1.00 0.00 O ATOM 611 OE2 GLU B 36 0.152 3.177 -0.287 1.00 0.00 O ATOM 0 H GLU B 36 -1.822 0.962 -3.149 1.00 0.00 H new ATOM 0 HA GLU B 36 0.733 -0.008 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -2.000 -0.478 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -0.486 -0.111 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -2.180 1.801 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -1.924 1.857 -0.027 1.00 0.00 H new ATOM 618 N GLU B 37 -1.589 -2.074 -3.178 1.00 0.00 N ATOM 619 CA GLU B 37 -1.846 -3.508 -3.453 1.00 0.00 C ATOM 620 C GLU B 37 -1.122 -3.883 -4.734 1.00 0.00 C ATOM 621 O GLU B 37 -0.451 -4.891 -4.830 1.00 0.00 O ATOM 622 CB GLU B 37 -3.349 -3.736 -3.626 1.00 0.00 C ATOM 623 CG GLU B 37 -3.630 -5.235 -3.750 1.00 0.00 C ATOM 624 CD GLU B 37 -5.140 -5.467 -3.843 1.00 0.00 C ATOM 625 OE1 GLU B 37 -5.749 -4.920 -4.747 1.00 0.00 O ATOM 626 OE2 GLU B 37 -5.661 -6.186 -3.006 1.00 0.00 O ATOM 0 H GLU B 37 -2.298 -1.430 -3.529 1.00 0.00 H new ATOM 0 HA GLU B 37 -1.489 -4.121 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.890 -3.324 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -3.706 -3.214 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.135 -5.636 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.223 -5.764 -2.889 1.00 0.00 H new ATOM 633 N GLU B 38 -1.263 -3.047 -5.713 1.00 0.00 N ATOM 634 CA GLU B 38 -0.611 -3.268 -7.025 1.00 0.00 C ATOM 635 C GLU B 38 0.841 -3.722 -6.812 1.00 0.00 C ATOM 636 O GLU B 38 1.369 -4.513 -7.566 1.00 0.00 O ATOM 637 CB GLU B 38 -0.657 -1.926 -7.783 1.00 0.00 C ATOM 638 CG GLU B 38 -1.778 -1.937 -8.833 1.00 0.00 C ATOM 639 CD GLU B 38 -1.978 -0.523 -9.381 1.00 0.00 C ATOM 640 OE1 GLU B 38 -1.160 0.329 -9.081 1.00 0.00 O ATOM 641 OE2 GLU B 38 -2.948 -0.317 -10.092 1.00 0.00 O ATOM 0 H GLU B 38 -1.819 -2.194 -5.658 1.00 0.00 H new ATOM 0 HA GLU B 38 -1.121 -4.044 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -0.819 -1.110 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU B 38 0.302 -1.743 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -1.525 -2.620 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.704 -2.300 -8.388 1.00 0.00 H new ATOM 648 N ARG B 39 1.486 -3.231 -5.793 1.00 0.00 N ATOM 649 CA ARG B 39 2.896 -3.642 -5.541 1.00 0.00 C ATOM 650 C ARG B 39 2.953 -5.154 -5.347 1.00 0.00 C ATOM 651 O ARG B 39 3.606 -5.868 -6.082 1.00 0.00 O ATOM 652 CB ARG B 39 3.400 -2.960 -4.269 1.00 0.00 C ATOM 653 CG ARG B 39 4.916 -3.132 -4.169 1.00 0.00 C ATOM 654 CD ARG B 39 5.451 -2.321 -2.985 1.00 0.00 C ATOM 655 NE ARG B 39 6.931 -2.184 -3.109 1.00 0.00 N ATOM 656 CZ ARG B 39 7.568 -1.301 -2.389 1.00 0.00 C ATOM 657 NH1 ARG B 39 6.911 -0.540 -1.557 1.00 0.00 N ATOM 658 NH2 ARG B 39 8.862 -1.180 -2.500 1.00 0.00 N ATOM 0 H ARG B 39 1.100 -2.564 -5.124 1.00 0.00 H new ATOM 0 HA ARG B 39 3.517 -3.353 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG B 39 3.143 -1.901 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG B 39 2.915 -3.393 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG B 39 5.164 -4.186 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG B 39 5.391 -2.801 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG B 39 4.984 -1.336 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG B 39 5.197 -2.815 -2.047 1.00 0.00 H new ATOM 0 HE ARG B 39 7.446 -2.781 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG B 39 5.899 -0.635 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG B 39 7.409 0.150 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG B 39 9.376 -1.775 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG B 39 9.360 -0.490 -1.937 1.00 0.00 H new ATOM 672 N ALA B 40 2.273 -5.639 -4.350 1.00 0.00 N ATOM 673 CA ALA B 40 2.276 -7.104 -4.074 1.00 0.00 C ATOM 674 C ALA B 40 1.744 -7.877 -5.287 1.00 0.00 C ATOM 675 O ALA B 40 1.874 -9.083 -5.363 1.00 0.00 O ATOM 676 CB ALA B 40 1.390 -7.391 -2.861 1.00 0.00 C ATOM 0 H ALA B 40 1.710 -5.081 -3.708 1.00 0.00 H new ATOM 0 HA ALA B 40 3.298 -7.424 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA B 40 1.390 -8.462 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA B 40 1.776 -6.856 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA B 40 0.372 -7.061 -3.068 1.00 0.00 H new ATOM 682 N ARG B 41 1.145 -7.207 -6.237 1.00 0.00 N ATOM 683 CA ARG B 41 0.614 -7.932 -7.430 1.00 0.00 C ATOM 684 C ARG B 41 1.698 -8.848 -8.006 1.00 0.00 C ATOM 685 O ARG B 41 1.439 -9.656 -8.874 1.00 0.00 O ATOM 686 CB ARG B 41 0.184 -6.921 -8.496 1.00 0.00 C ATOM 687 CG ARG B 41 -0.542 -7.646 -9.633 1.00 0.00 C ATOM 688 CD ARG B 41 -1.231 -6.622 -10.536 1.00 0.00 C ATOM 689 NE ARG B 41 -2.081 -7.331 -11.533 1.00 0.00 N ATOM 690 CZ ARG B 41 -2.977 -6.670 -12.213 1.00 0.00 C ATOM 691 NH1 ARG B 41 -3.123 -5.387 -12.020 1.00 0.00 N ATOM 692 NH2 ARG B 41 -3.726 -7.288 -13.084 1.00 0.00 N ATOM 0 H ARG B 41 1.001 -6.197 -6.239 1.00 0.00 H new ATOM 0 HA ARG B 41 -0.244 -8.533 -7.130 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -0.470 -6.169 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG B 41 1.056 -6.396 -8.885 1.00 0.00 H new ATOM 0 HG2 ARG B 41 0.167 -8.238 -10.212 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -1.277 -8.339 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -1.841 -5.946 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -0.486 -6.012 -11.046 1.00 0.00 H new ATOM 0 HE ARG B 41 -1.963 -8.333 -11.684 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -2.537 -4.904 -11.339 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -3.823 -4.868 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -3.612 -8.290 -13.235 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -4.426 -6.769 -13.614 1.00 0.00 H new ATOM 706 N ALA B 42 2.911 -8.728 -7.534 1.00 0.00 N ATOM 707 CA ALA B 42 4.008 -9.591 -8.060 1.00 0.00 C ATOM 708 C ALA B 42 3.567 -11.058 -8.046 1.00 0.00 C ATOM 709 O ALA B 42 2.859 -11.512 -8.922 1.00 0.00 O ATOM 710 CB ALA B 42 5.250 -9.429 -7.182 1.00 0.00 C ATOM 0 H ALA B 42 3.189 -8.069 -6.807 1.00 0.00 H new ATOM 0 HA ALA B 42 4.239 -9.293 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.052 -10.060 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA B 42 5.570 -8.387 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.014 -9.725 -6.160 1.00 0.00 H new ATOM 716 N LYS B 43 3.984 -11.803 -7.058 1.00 0.00 N ATOM 717 CA LYS B 43 3.592 -13.236 -6.988 1.00 0.00 C ATOM 718 C LYS B 43 4.042 -13.822 -5.650 1.00 0.00 C ATOM 719 O LYS B 43 3.531 -14.828 -5.197 1.00 0.00 O ATOM 720 CB LYS B 43 4.256 -14.008 -8.133 1.00 0.00 C ATOM 721 CG LYS B 43 3.578 -15.371 -8.296 1.00 0.00 C ATOM 722 CD LYS B 43 4.307 -16.203 -9.385 1.00 0.00 C ATOM 723 CE LYS B 43 4.429 -17.663 -8.938 1.00 0.00 C ATOM 724 NZ LYS B 43 3.067 -18.253 -8.793 1.00 0.00 N ATOM 0 H LYS B 43 4.580 -11.479 -6.296 1.00 0.00 H new ATOM 0 HA LYS B 43 2.509 -13.319 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.180 -13.440 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS B 43 5.318 -14.141 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS B 43 3.591 -15.908 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS B 43 2.532 -15.235 -8.571 1.00 0.00 H new ATOM 0 HD2 LYS B 43 3.758 -16.147 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS B 43 5.297 -15.787 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS B 43 5.007 -18.231 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS B 43 4.965 -17.721 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 3.146 -19.283 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 2.598 -17.843 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 2.506 -18.045 -9.644 1.00 0.00 H new ATOM 738 N TRP B 44 4.998 -13.196 -5.019 1.00 0.00 N ATOM 739 CA TRP B 44 5.508 -13.695 -3.703 1.00 0.00 C ATOM 740 C TRP B 44 5.013 -12.776 -2.584 1.00 0.00 C ATOM 741 O TRP B 44 4.000 -12.118 -2.709 1.00 0.00 O ATOM 742 CB TRP B 44 7.037 -13.689 -3.719 1.00 0.00 C ATOM 743 CG TRP B 44 7.525 -14.364 -4.959 1.00 0.00 C ATOM 744 CD1 TRP B 44 7.771 -15.690 -5.077 1.00 0.00 C ATOM 745 CD2 TRP B 44 7.830 -13.775 -6.256 1.00 0.00 C ATOM 746 NE1 TRP B 44 8.209 -15.950 -6.364 1.00 0.00 N ATOM 747 CE2 TRP B 44 8.262 -14.801 -7.129 1.00 0.00 C ATOM 748 CE3 TRP B 44 7.774 -12.460 -6.755 1.00 0.00 C ATOM 749 CZ2 TRP B 44 8.626 -14.535 -8.448 1.00 0.00 C ATOM 750 CZ3 TRP B 44 8.139 -12.187 -8.084 1.00 0.00 C ATOM 751 CH2 TRP B 44 8.564 -13.223 -8.928 1.00 0.00 C ATOM 0 H TRP B 44 5.454 -12.350 -5.361 1.00 0.00 H new ATOM 0 HA TRP B 44 5.145 -14.708 -3.532 1.00 0.00 H new ATOM 0 HB2 TRP B 44 7.408 -12.665 -3.680 1.00 0.00 H new ATOM 0 HB3 TRP B 44 7.423 -14.201 -2.838 1.00 0.00 H new ATOM 0 HD1 TRP B 44 7.646 -16.425 -4.295 1.00 0.00 H new ATOM 0 HE1 TRP B 44 8.462 -16.877 -6.706 1.00 0.00 H new ATOM 0 HE3 TRP B 44 7.448 -11.656 -6.112 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 8.953 -15.336 -9.094 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 8.092 -11.175 -8.457 1.00 0.00 H new ATOM 0 HH2 TRP B 44 8.843 -13.008 -9.949 1.00 0.00 H new ATOM 762 N ASP B 45 5.724 -12.724 -1.492 1.00 0.00 N ATOM 763 CA ASP B 45 5.301 -11.846 -0.366 1.00 0.00 C ATOM 764 C ASP B 45 6.482 -11.630 0.581 1.00 0.00 C ATOM 765 O ASP B 45 6.529 -12.174 1.666 1.00 0.00 O ATOM 766 CB ASP B 45 4.150 -12.510 0.396 1.00 0.00 C ATOM 767 CG ASP B 45 4.621 -13.850 0.964 1.00 0.00 C ATOM 768 OD1 ASP B 45 4.815 -14.768 0.183 1.00 0.00 O ATOM 769 OD2 ASP B 45 4.777 -13.938 2.171 1.00 0.00 O ATOM 0 H ASP B 45 6.581 -13.253 -1.331 1.00 0.00 H new ATOM 0 HA ASP B 45 4.969 -10.885 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP B 45 3.811 -11.860 1.203 1.00 0.00 H new ATOM 0 HB3 ASP B 45 3.300 -12.663 -0.269 1.00 0.00 H new ATOM 774 N THR B 46 7.438 -10.839 0.176 1.00 0.00 N ATOM 775 CA THR B 46 8.620 -10.588 1.049 1.00 0.00 C ATOM 776 C THR B 46 9.183 -11.921 1.543 1.00 0.00 C ATOM 777 O THR B 46 9.285 -12.163 2.730 1.00 0.00 O ATOM 778 CB THR B 46 8.197 -9.735 2.248 1.00 0.00 C ATOM 779 OG1 THR B 46 7.385 -10.512 3.118 1.00 0.00 O ATOM 780 CG2 THR B 46 7.406 -8.521 1.759 1.00 0.00 C ATOM 0 H THR B 46 7.452 -10.356 -0.722 1.00 0.00 H new ATOM 0 HA THR B 46 9.386 -10.060 0.480 1.00 0.00 H new ATOM 0 HB THR B 46 9.084 -9.397 2.784 1.00 0.00 H new ATOM 0 HG1 THR B 46 7.490 -11.462 2.901 1.00 0.00 H new ATOM 0 HG21 THR B 46 7.105 -7.914 2.613 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.029 -7.925 1.092 1.00 0.00 H new ATOM 0 HG23 THR B 46 6.519 -8.857 1.222 1.00 0.00 H new ATOM 788 N ALA B 47 9.553 -12.790 0.641 1.00 0.00 N ATOM 789 CA ALA B 47 10.110 -14.108 1.059 1.00 0.00 C ATOM 790 C ALA B 47 10.583 -14.878 -0.175 1.00 0.00 C ATOM 791 O ALA B 47 10.782 -16.076 -0.133 1.00 0.00 O ATOM 792 CB ALA B 47 9.029 -14.916 1.780 1.00 0.00 C ATOM 0 H ALA B 47 9.493 -12.644 -0.367 1.00 0.00 H new ATOM 0 HA ALA B 47 10.952 -13.947 1.732 1.00 0.00 H new ATOM 0 HB1 ALA B 47 9.438 -15.879 2.085 1.00 0.00 H new ATOM 0 HB2 ALA B 47 8.693 -14.369 2.661 1.00 0.00 H new ATOM 0 HB3 ALA B 47 8.186 -15.076 1.108 1.00 0.00 H new ATOM 798 N ASN B 48 10.765 -14.200 -1.275 1.00 0.00 N ATOM 799 CA ASN B 48 11.225 -14.896 -2.510 1.00 0.00 C ATOM 800 C ASN B 48 12.730 -15.153 -2.419 1.00 0.00 C ATOM 801 O ASN B 48 13.298 -15.859 -3.229 1.00 0.00 O ATOM 802 CB ASN B 48 10.930 -14.016 -3.728 1.00 0.00 C ATOM 803 CG ASN B 48 11.201 -14.809 -5.008 1.00 0.00 C ATOM 804 OD1 ASN B 48 10.499 -15.751 -5.314 1.00 0.00 O ATOM 805 ND2 ASN B 48 12.198 -14.463 -5.776 1.00 0.00 N ATOM 0 H ASN B 48 10.615 -13.196 -1.372 1.00 0.00 H new ATOM 0 HA ASN B 48 10.700 -15.846 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN B 48 9.892 -13.683 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN B 48 11.552 -13.122 -3.703 1.00 0.00 H new ATOM 0 HD21 ASN B 48 12.387 -14.984 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN B 48 12.788 -13.672 -5.520 1.00 0.00 H new ATOM 812 N ASN B 49 13.381 -14.587 -1.440 1.00 0.00 N ATOM 813 CA ASN B 49 14.850 -14.801 -1.302 1.00 0.00 C ATOM 814 C ASN B 49 15.105 -16.267 -0.897 1.00 0.00 C ATOM 815 O ASN B 49 14.267 -16.861 -0.248 1.00 0.00 O ATOM 816 CB ASN B 49 15.389 -13.866 -0.212 1.00 0.00 C ATOM 817 CG ASN B 49 15.524 -12.447 -0.769 1.00 0.00 C ATOM 818 OD1 ASN B 49 15.277 -12.213 -1.935 1.00 0.00 O ATOM 819 ND2 ASN B 49 15.909 -11.483 0.022 1.00 0.00 N ATOM 0 H ASN B 49 12.960 -13.987 -0.731 1.00 0.00 H new ATOM 0 HA ASN B 49 15.352 -14.589 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN B 49 14.717 -13.868 0.646 1.00 0.00 H new ATOM 0 HB3 ASN B 49 16.357 -14.222 0.140 1.00 0.00 H new ATOM 0 HD21 ASN B 49 16.002 -10.534 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN B 49 16.117 -11.679 1.001 1.00 0.00 H new ATOM 826 N PRO B 50 16.246 -16.822 -1.270 1.00 0.00 N ATOM 827 CA PRO B 50 16.565 -18.217 -0.910 1.00 0.00 C ATOM 828 C PRO B 50 16.474 -18.393 0.613 1.00 0.00 C ATOM 829 O PRO B 50 16.315 -19.489 1.112 1.00 0.00 O ATOM 830 CB PRO B 50 18.009 -18.443 -1.423 1.00 0.00 C ATOM 831 CG PRO B 50 18.486 -17.112 -2.076 1.00 0.00 C ATOM 832 CD PRO B 50 17.291 -16.132 -2.059 1.00 0.00 C ATOM 0 HA PRO B 50 15.874 -18.937 -1.348 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.668 -18.725 -0.602 1.00 0.00 H new ATOM 0 HB3 PRO B 50 18.036 -19.257 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO B 50 19.331 -16.696 -1.526 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.825 -17.286 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO B 50 17.566 -15.181 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.944 -15.914 -3.069 1.00 0.00 H new ATOM 840 N LEU B 51 16.571 -17.321 1.349 1.00 0.00 N ATOM 841 CA LEU B 51 16.489 -17.428 2.833 1.00 0.00 C ATOM 842 C LEU B 51 15.077 -17.875 3.227 1.00 0.00 C ATOM 843 O LEU B 51 14.095 -17.287 2.822 1.00 0.00 O ATOM 844 CB LEU B 51 16.791 -16.061 3.461 1.00 0.00 C ATOM 845 CG LEU B 51 18.304 -15.816 3.468 1.00 0.00 C ATOM 846 CD1 LEU B 51 18.831 -15.778 2.030 1.00 0.00 C ATOM 847 CD2 LEU B 51 18.596 -14.478 4.153 1.00 0.00 C ATOM 0 H LEU B 51 16.703 -16.376 0.988 1.00 0.00 H new ATOM 0 HA LEU B 51 17.216 -18.157 3.191 1.00 0.00 H new ATOM 0 HB2 LEU B 51 16.288 -15.274 2.899 1.00 0.00 H new ATOM 0 HB3 LEU B 51 16.403 -16.024 4.479 1.00 0.00 H new ATOM 0 HG LEU B 51 18.798 -16.623 4.009 1.00 0.00 H new ATOM 0 HD11 LEU B 51 19.907 -15.604 2.041 1.00 0.00 H new ATOM 0 HD12 LEU B 51 18.623 -16.730 1.541 1.00 0.00 H new ATOM 0 HD13 LEU B 51 18.339 -14.974 1.483 1.00 0.00 H new ATOM 0 HD21 LEU B 51 19.671 -14.300 4.160 1.00 0.00 H new ATOM 0 HD22 LEU B 51 18.099 -13.675 3.609 1.00 0.00 H new ATOM 0 HD23 LEU B 51 18.226 -14.506 5.178 1.00 0.00 H new ATOM 859 N TYR B 52 14.969 -18.912 4.013 1.00 0.00 N ATOM 860 CA TYR B 52 13.622 -19.395 4.427 1.00 0.00 C ATOM 861 C TYR B 52 13.757 -20.300 5.654 1.00 0.00 C ATOM 862 O TYR B 52 13.518 -21.489 5.589 1.00 0.00 O ATOM 863 CB TYR B 52 12.991 -20.181 3.276 1.00 0.00 C ATOM 864 CG TYR B 52 11.560 -20.524 3.622 1.00 0.00 C ATOM 865 CD1 TYR B 52 10.576 -19.529 3.595 1.00 0.00 C ATOM 866 CD2 TYR B 52 11.215 -21.838 3.967 1.00 0.00 C ATOM 867 CE1 TYR B 52 9.249 -19.846 3.912 1.00 0.00 C ATOM 868 CE2 TYR B 52 9.889 -22.155 4.284 1.00 0.00 C ATOM 869 CZ TYR B 52 8.906 -21.158 4.257 1.00 0.00 C ATOM 870 OH TYR B 52 7.598 -21.471 4.569 1.00 0.00 O ATOM 0 H TYR B 52 15.755 -19.445 4.386 1.00 0.00 H new ATOM 0 HA TYR B 52 12.989 -18.543 4.676 1.00 0.00 H new ATOM 0 HB2 TYR B 52 13.023 -19.592 2.359 1.00 0.00 H new ATOM 0 HB3 TYR B 52 13.559 -21.092 3.090 1.00 0.00 H new ATOM 0 HD1 TYR B 52 10.840 -18.516 3.330 1.00 0.00 H new ATOM 0 HD2 TYR B 52 11.973 -22.607 3.988 1.00 0.00 H new ATOM 0 HE1 TYR B 52 8.490 -19.078 3.890 1.00 0.00 H new ATOM 0 HE2 TYR B 52 9.624 -23.168 4.549 1.00 0.00 H new ATOM 0 HH TYR B 52 7.532 -22.425 4.784 1.00 0.00 H new ATOM 880 N LYS B 53 14.142 -19.745 6.771 1.00 0.00 N ATOM 881 CA LYS B 53 14.296 -20.570 8.004 1.00 0.00 C ATOM 882 C LYS B 53 15.204 -21.764 7.709 1.00 0.00 C ATOM 883 O LYS B 53 15.371 -22.646 8.529 1.00 0.00 O ATOM 884 CB LYS B 53 12.923 -21.075 8.464 1.00 0.00 C ATOM 885 CG LYS B 53 11.973 -19.890 8.696 1.00 0.00 C ATOM 886 CD LYS B 53 12.244 -19.250 10.063 1.00 0.00 C ATOM 887 CE LYS B 53 11.163 -18.209 10.360 1.00 0.00 C ATOM 888 NZ LYS B 53 11.139 -17.194 9.269 1.00 0.00 N ATOM 0 H LYS B 53 14.357 -18.754 6.883 1.00 0.00 H new ATOM 0 HA LYS B 53 14.739 -19.960 8.792 1.00 0.00 H new ATOM 0 HB2 LYS B 53 12.504 -21.745 7.714 1.00 0.00 H new ATOM 0 HB3 LYS B 53 13.028 -21.651 9.383 1.00 0.00 H new ATOM 0 HG2 LYS B 53 12.105 -19.149 7.907 1.00 0.00 H new ATOM 0 HG3 LYS B 53 10.938 -20.229 8.644 1.00 0.00 H new ATOM 0 HD2 LYS B 53 12.251 -20.015 10.840 1.00 0.00 H new ATOM 0 HD3 LYS B 53 13.228 -18.781 10.069 1.00 0.00 H new ATOM 0 HE2 LYS B 53 10.190 -18.693 10.443 1.00 0.00 H new ATOM 0 HE3 LYS B 53 11.361 -17.726 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 10.962 -16.253 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 12.055 -17.192 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 10.383 -17.428 8.594 1.00 0.00 H new ATOM 902 N GLU B 54 15.796 -21.802 6.545 1.00 0.00 N ATOM 903 CA GLU B 54 16.695 -22.940 6.198 1.00 0.00 C ATOM 904 C GLU B 54 16.015 -24.262 6.565 1.00 0.00 C ATOM 905 O GLU B 54 16.575 -25.088 7.257 1.00 0.00 O ATOM 906 CB GLU B 54 18.006 -22.809 6.975 1.00 0.00 C ATOM 907 CG GLU B 54 18.703 -21.504 6.585 1.00 0.00 C ATOM 908 CD GLU B 54 19.203 -21.604 5.143 1.00 0.00 C ATOM 909 OE1 GLU B 54 20.065 -22.431 4.892 1.00 0.00 O ATOM 910 OE2 GLU B 54 18.717 -20.854 4.313 1.00 0.00 O ATOM 0 H GLU B 54 15.695 -21.093 5.819 1.00 0.00 H new ATOM 0 HA GLU B 54 16.902 -22.924 5.128 1.00 0.00 H new ATOM 0 HB2 GLU B 54 17.808 -22.822 8.047 1.00 0.00 H new ATOM 0 HB3 GLU B 54 18.655 -23.658 6.760 1.00 0.00 H new ATOM 0 HG2 GLU B 54 18.012 -20.667 6.684 1.00 0.00 H new ATOM 0 HG3 GLU B 54 19.538 -21.310 7.258 1.00 0.00 H new ATOM 917 N ALA B 55 14.809 -24.466 6.109 1.00 0.00 N ATOM 918 CA ALA B 55 14.095 -25.732 6.437 1.00 0.00 C ATOM 919 C ALA B 55 14.161 -25.975 7.946 1.00 0.00 C ATOM 920 O ALA B 55 13.983 -25.071 8.738 1.00 0.00 O ATOM 921 CB ALA B 55 14.760 -26.899 5.703 1.00 0.00 C ATOM 0 H ALA B 55 14.288 -23.812 5.525 1.00 0.00 H new ATOM 0 HA ALA B 55 13.054 -25.654 6.125 1.00 0.00 H new ATOM 0 HB1 ALA B 55 14.238 -27.825 5.943 1.00 0.00 H new ATOM 0 HB2 ALA B 55 14.715 -26.725 4.628 1.00 0.00 H new ATOM 0 HB3 ALA B 55 15.801 -26.979 6.015 1.00 0.00 H new ATOM 927 N THR B 56 14.418 -27.188 8.351 1.00 0.00 N ATOM 928 CA THR B 56 14.497 -27.484 9.810 1.00 0.00 C ATOM 929 C THR B 56 15.479 -26.513 10.470 1.00 0.00 C ATOM 930 O THR B 56 16.332 -25.942 9.821 1.00 0.00 O ATOM 931 CB THR B 56 14.983 -28.921 10.014 1.00 0.00 C ATOM 932 OG1 THR B 56 16.292 -29.057 9.479 1.00 0.00 O ATOM 933 CG2 THR B 56 14.037 -29.889 9.304 1.00 0.00 C ATOM 0 H THR B 56 14.577 -27.986 7.736 1.00 0.00 H new ATOM 0 HA THR B 56 13.511 -27.369 10.261 1.00 0.00 H new ATOM 0 HB THR B 56 14.999 -29.150 11.079 1.00 0.00 H new ATOM 0 HG1 THR B 56 16.605 -29.976 9.610 1.00 0.00 H new ATOM 0 HG21 THR B 56 14.385 -30.911 9.451 1.00 0.00 H new ATOM 0 HG22 THR B 56 13.033 -29.785 9.716 1.00 0.00 H new ATOM 0 HG23 THR B 56 14.017 -29.662 8.238 1.00 0.00 H new ATOM 941 N SER B 57 15.365 -26.322 11.756 1.00 0.00 N ATOM 942 CA SER B 57 16.293 -25.389 12.455 1.00 0.00 C ATOM 943 C SER B 57 17.735 -25.857 12.247 1.00 0.00 C ATOM 944 O SER B 57 18.310 -26.522 13.086 1.00 0.00 O ATOM 945 CB SER B 57 15.970 -25.374 13.950 1.00 0.00 C ATOM 946 OG SER B 57 16.989 -24.667 14.644 1.00 0.00 O ATOM 0 H SER B 57 14.670 -26.771 12.352 1.00 0.00 H new ATOM 0 HA SER B 57 16.175 -24.384 12.049 1.00 0.00 H new ATOM 0 HB2 SER B 57 15.003 -24.901 14.120 1.00 0.00 H new ATOM 0 HB3 SER B 57 15.897 -26.394 14.328 1.00 0.00 H new ATOM 0 HG SER B 57 16.784 -24.654 15.602 1.00 0.00 H new ATOM 952 N THR B 58 18.325 -25.514 11.131 1.00 0.00 N ATOM 953 CA THR B 58 19.733 -25.939 10.861 1.00 0.00 C ATOM 954 C THR B 58 20.698 -24.865 11.365 1.00 0.00 C ATOM 955 O THR B 58 21.887 -25.091 11.481 1.00 0.00 O ATOM 956 CB THR B 58 19.928 -26.123 9.354 1.00 0.00 C ATOM 957 OG1 THR B 58 18.978 -27.061 8.867 1.00 0.00 O ATOM 958 CG2 THR B 58 21.341 -26.637 9.082 1.00 0.00 C ATOM 0 H THR B 58 17.893 -24.957 10.394 1.00 0.00 H new ATOM 0 HA THR B 58 19.932 -26.879 11.376 1.00 0.00 H new ATOM 0 HB THR B 58 19.788 -25.168 8.848 1.00 0.00 H new ATOM 0 HG1 THR B 58 18.074 -26.704 8.990 1.00 0.00 H new ATOM 0 HG21 THR B 58 21.480 -26.768 8.009 1.00 0.00 H new ATOM 0 HG22 THR B 58 22.069 -25.917 9.457 1.00 0.00 H new ATOM 0 HG23 THR B 58 21.484 -27.593 9.586 1.00 0.00 H new ATOM 966 N PHE B 59 20.201 -23.696 11.666 1.00 0.00 N ATOM 967 CA PHE B 59 21.094 -22.611 12.161 1.00 0.00 C ATOM 968 C PHE B 59 21.998 -23.154 13.270 1.00 0.00 C ATOM 969 O PHE B 59 22.992 -22.552 13.623 1.00 0.00 O ATOM 970 CB PHE B 59 20.246 -21.462 12.710 1.00 0.00 C ATOM 971 CG PHE B 59 19.442 -20.852 11.587 1.00 0.00 C ATOM 972 CD1 PHE B 59 20.041 -19.940 10.709 1.00 0.00 C ATOM 973 CD2 PHE B 59 18.095 -21.198 11.424 1.00 0.00 C ATOM 974 CE1 PHE B 59 19.294 -19.375 9.669 1.00 0.00 C ATOM 975 CE2 PHE B 59 17.348 -20.633 10.384 1.00 0.00 C ATOM 976 CZ PHE B 59 17.947 -19.721 9.507 1.00 0.00 C ATOM 0 H PHE B 59 19.215 -23.446 11.590 1.00 0.00 H new ATOM 0 HA PHE B 59 21.710 -22.248 11.339 1.00 0.00 H new ATOM 0 HB2 PHE B 59 19.580 -21.828 13.492 1.00 0.00 H new ATOM 0 HB3 PHE B 59 20.887 -20.707 13.165 1.00 0.00 H new ATOM 0 HD1 PHE B 59 21.080 -19.673 10.835 1.00 0.00 H new ATOM 0 HD2 PHE B 59 17.632 -21.901 12.101 1.00 0.00 H new ATOM 0 HE1 PHE B 59 19.756 -18.672 8.992 1.00 0.00 H new ATOM 0 HE2 PHE B 59 16.309 -20.901 10.258 1.00 0.00 H new ATOM 0 HZ PHE B 59 17.370 -19.284 8.705 1.00 0.00 H new ATOM 986 N THR B 60 21.664 -24.289 13.820 1.00 0.00 N ATOM 987 CA THR B 60 22.509 -24.869 14.904 1.00 0.00 C ATOM 988 C THR B 60 23.975 -24.851 14.467 1.00 0.00 C ATOM 989 O THR B 60 24.413 -25.682 13.696 1.00 0.00 O ATOM 990 CB THR B 60 22.075 -26.312 15.177 1.00 0.00 C ATOM 991 OG1 THR B 60 23.170 -27.038 15.720 1.00 0.00 O ATOM 992 CG2 THR B 60 21.624 -26.968 13.871 1.00 0.00 C ATOM 0 H THR B 60 20.844 -24.840 13.567 1.00 0.00 H new ATOM 0 HA THR B 60 22.391 -24.279 15.813 1.00 0.00 H new ATOM 0 HB THR B 60 21.247 -26.315 15.886 1.00 0.00 H new ATOM 0 HG1 THR B 60 22.894 -27.962 15.897 1.00 0.00 H new ATOM 0 HG21 THR B 60 21.316 -27.995 14.067 1.00 0.00 H new ATOM 0 HG22 THR B 60 20.785 -26.410 13.454 1.00 0.00 H new ATOM 0 HG23 THR B 60 22.450 -26.967 13.159 1.00 0.00 H new ATOM 1000 N ASN B 61 24.738 -23.908 14.953 1.00 0.00 N ATOM 1001 CA ASN B 61 26.181 -23.827 14.569 1.00 0.00 C ATOM 1002 C ASN B 61 27.003 -23.389 15.781 1.00 0.00 C ATOM 1003 O ASN B 61 28.141 -23.783 15.946 1.00 0.00 O ATOM 1004 CB ASN B 61 26.350 -22.803 13.444 1.00 0.00 C ATOM 1005 CG ASN B 61 25.891 -21.428 13.930 1.00 0.00 C ATOM 1006 OD1 ASN B 61 24.855 -21.304 14.553 1.00 0.00 O ATOM 1007 ND2 ASN B 61 26.624 -20.380 13.669 1.00 0.00 N ATOM 0 H ASN B 61 24.424 -23.187 15.602 1.00 0.00 H new ATOM 0 HA ASN B 61 26.524 -24.804 14.228 1.00 0.00 H new ATOM 0 HB2 ASN B 61 27.393 -22.760 13.131 1.00 0.00 H new ATOM 0 HB3 ASN B 61 25.768 -23.105 12.573 1.00 0.00 H new ATOM 0 HD21 ASN B 61 26.327 -19.458 13.988 1.00 0.00 H new ATOM 0 HD22 ASN B 61 27.494 -20.483 13.146 1.00 0.00 H new ATOM 1014 N ILE B 62 26.437 -22.579 16.632 1.00 0.00 N ATOM 1015 CA ILE B 62 27.187 -22.120 17.834 1.00 0.00 C ATOM 1016 C ILE B 62 27.370 -23.302 18.790 1.00 0.00 C ATOM 1017 O ILE B 62 26.417 -23.901 19.244 1.00 0.00 O ATOM 1018 CB ILE B 62 26.398 -20.997 18.524 1.00 0.00 C ATOM 1019 CG1 ILE B 62 27.150 -20.511 19.775 1.00 0.00 C ATOM 1020 CG2 ILE B 62 25.011 -21.508 18.931 1.00 0.00 C ATOM 1021 CD1 ILE B 62 28.526 -19.952 19.385 1.00 0.00 C ATOM 0 H ILE B 62 25.488 -22.215 16.547 1.00 0.00 H new ATOM 0 HA ILE B 62 28.166 -21.739 17.543 1.00 0.00 H new ATOM 0 HB ILE B 62 26.290 -20.167 17.826 1.00 0.00 H new ATOM 0 HG12 ILE B 62 26.568 -19.742 20.282 1.00 0.00 H new ATOM 0 HG13 ILE B 62 27.270 -21.335 20.478 1.00 0.00 H new ATOM 0 HG21 ILE B 62 24.457 -20.707 19.420 1.00 0.00 H new ATOM 0 HG22 ILE B 62 24.469 -21.835 18.044 1.00 0.00 H new ATOM 0 HG23 ILE B 62 25.120 -22.346 19.619 1.00 0.00 H new ATOM 0 HD11 ILE B 62 29.047 -19.612 20.280 1.00 0.00 H new ATOM 0 HD12 ILE B 62 29.111 -20.732 18.899 1.00 0.00 H new ATOM 0 HD13 ILE B 62 28.397 -19.114 18.699 1.00 0.00 H new ATOM 1033 N THR B 63 28.593 -23.647 19.093 1.00 0.00 N ATOM 1034 CA THR B 63 28.840 -24.792 20.014 1.00 0.00 C ATOM 1035 C THR B 63 28.758 -24.310 21.463 1.00 0.00 C ATOM 1036 O THR B 63 28.914 -23.139 21.748 1.00 0.00 O ATOM 1037 CB THR B 63 30.234 -25.365 19.748 1.00 0.00 C ATOM 1038 OG1 THR B 63 31.206 -24.344 19.928 1.00 0.00 O ATOM 1039 CG2 THR B 63 30.305 -25.894 18.315 1.00 0.00 C ATOM 0 H THR B 63 29.432 -23.184 18.742 1.00 0.00 H new ATOM 0 HA THR B 63 28.088 -25.563 19.845 1.00 0.00 H new ATOM 0 HB THR B 63 30.431 -26.181 20.443 1.00 0.00 H new ATOM 0 HG1 THR B 63 32.100 -24.710 19.760 1.00 0.00 H new ATOM 0 HG21 THR B 63 31.298 -26.302 18.126 1.00 0.00 H new ATOM 0 HG22 THR B 63 29.559 -26.677 18.179 1.00 0.00 H new ATOM 0 HG23 THR B 63 30.108 -25.081 17.617 1.00 0.00 H new ATOM 1047 N TYR B 64 28.517 -25.205 22.382 1.00 0.00 N ATOM 1048 CA TYR B 64 28.430 -24.799 23.811 1.00 0.00 C ATOM 1049 C TYR B 64 29.833 -24.484 24.331 1.00 0.00 C ATOM 1050 O TYR B 64 30.790 -25.159 24.006 1.00 0.00 O ATOM 1051 CB TYR B 64 27.823 -25.940 24.631 1.00 0.00 C ATOM 1052 CG TYR B 64 27.508 -25.450 26.023 1.00 0.00 C ATOM 1053 CD1 TYR B 64 26.306 -24.775 26.272 1.00 0.00 C ATOM 1054 CD2 TYR B 64 28.416 -25.670 27.064 1.00 0.00 C ATOM 1055 CE1 TYR B 64 26.014 -24.320 27.565 1.00 0.00 C ATOM 1056 CE2 TYR B 64 28.124 -25.216 28.356 1.00 0.00 C ATOM 1057 CZ TYR B 64 26.923 -24.541 28.606 1.00 0.00 C ATOM 1058 OH TYR B 64 26.636 -24.094 29.880 1.00 0.00 O ATOM 0 H TYR B 64 28.377 -26.199 22.204 1.00 0.00 H new ATOM 0 HA TYR B 64 27.799 -23.915 23.903 1.00 0.00 H new ATOM 0 HB2 TYR B 64 26.916 -26.305 24.149 1.00 0.00 H new ATOM 0 HB3 TYR B 64 28.519 -26.778 24.678 1.00 0.00 H new ATOM 0 HD1 TYR B 64 25.605 -24.605 25.468 1.00 0.00 H new ATOM 0 HD2 TYR B 64 29.343 -26.190 26.871 1.00 0.00 H new ATOM 0 HE1 TYR B 64 25.088 -23.799 27.758 1.00 0.00 H new ATOM 0 HE2 TYR B 64 28.825 -25.386 29.160 1.00 0.00 H new ATOM 0 HH TYR B 64 27.371 -24.330 30.483 1.00 0.00 H new ATOM 1068 N ARG B 65 29.967 -23.465 25.133 1.00 0.00 N ATOM 1069 CA ARG B 65 31.312 -23.110 25.667 1.00 0.00 C ATOM 1070 C ARG B 65 32.297 -22.977 24.501 1.00 0.00 C ATOM 1071 O ARG B 65 32.052 -22.264 23.549 1.00 0.00 O ATOM 1072 CB ARG B 65 31.784 -24.206 26.630 1.00 0.00 C ATOM 1073 CG ARG B 65 32.911 -23.661 27.522 1.00 0.00 C ATOM 1074 CD ARG B 65 33.607 -24.815 28.278 1.00 0.00 C ATOM 1075 NE ARG B 65 33.822 -24.428 29.712 1.00 0.00 N ATOM 1076 CZ ARG B 65 34.326 -23.264 30.034 1.00 0.00 C ATOM 1077 NH1 ARG B 65 34.759 -22.452 29.110 1.00 0.00 N ATOM 1078 NH2 ARG B 65 34.427 -22.927 31.291 1.00 0.00 N ATOM 0 H ARG B 65 29.204 -22.863 25.442 1.00 0.00 H new ATOM 0 HA ARG B 65 31.259 -22.163 26.204 1.00 0.00 H new ATOM 0 HB2 ARG B 65 30.951 -24.546 27.246 1.00 0.00 H new ATOM 0 HB3 ARG B 65 32.138 -25.070 26.068 1.00 0.00 H new ATOM 0 HG2 ARG B 65 33.639 -23.126 26.912 1.00 0.00 H new ATOM 0 HG3 ARG B 65 32.504 -22.944 28.235 1.00 0.00 H new ATOM 0 HD2 ARG B 65 32.998 -25.717 28.223 1.00 0.00 H new ATOM 0 HD3 ARG B 65 34.563 -25.046 27.807 1.00 0.00 H new ATOM 0 HE ARG B 65 33.570 -25.085 30.450 1.00 0.00 H new ATOM 0 HH11 ARG B 65 34.706 -22.722 28.128 1.00 0.00 H new ATOM 0 HH12 ARG B 65 35.150 -21.547 29.369 1.00 0.00 H new ATOM 0 HH21 ARG B 65 34.114 -23.570 32.018 1.00 0.00 H new ATOM 0 HH22 ARG B 65 34.819 -22.021 31.546 1.00 0.00 H new ATOM 1092 N GLY B 66 33.410 -23.659 24.563 1.00 0.00 N ATOM 1093 CA GLY B 66 34.402 -23.567 23.454 1.00 0.00 C ATOM 1094 C GLY B 66 35.763 -24.072 23.940 1.00 0.00 C ATOM 1095 O GLY B 66 35.863 -24.737 24.952 1.00 0.00 O ATOM 0 H GLY B 66 33.674 -24.274 25.332 1.00 0.00 H new ATOM 0 HA2 GLY B 66 34.066 -24.158 22.602 1.00 0.00 H new ATOM 0 HA3 GLY B 66 34.486 -22.535 23.112 1.00 0.00 H new ATOM 1099 N THR B 67 36.811 -23.759 23.227 1.00 0.00 N ATOM 1100 CA THR B 67 38.164 -24.221 23.649 1.00 0.00 C ATOM 1101 C THR B 67 39.230 -23.482 22.837 1.00 0.00 C ATOM 1102 O THR B 67 38.857 -22.672 22.004 1.00 0.00 O ATOM 1103 CB THR B 67 38.291 -25.727 23.408 1.00 0.00 C ATOM 1104 OG1 THR B 67 39.553 -26.175 23.884 1.00 0.00 O ATOM 1105 CG2 THR B 67 38.174 -26.019 21.912 1.00 0.00 C ATOM 1106 OXT THR B 67 40.402 -23.738 23.063 1.00 0.00 O ATOM 0 H THR B 67 36.789 -23.204 22.372 1.00 0.00 H new ATOM 0 HA THR B 67 38.304 -24.012 24.710 1.00 0.00 H new ATOM 0 HB THR B 67 37.495 -26.249 23.939 1.00 0.00 H new ATOM 0 HG1 THR B 67 40.209 -25.451 23.803 1.00 0.00 H new ATOM 0 HG21 THR B 67 38.265 -27.092 21.743 1.00 0.00 H new ATOM 0 HG22 THR B 67 37.206 -25.675 21.549 1.00 0.00 H new ATOM 0 HG23 THR B 67 38.968 -25.499 21.377 1.00 0.00 H new TER 1114 THR B 67